Geometry & MOs

Info

ID:

187153

PubChem CID:

77536669

Reduced:

SN4O5C38H46 (1)

Stoich.:

AB4C5D38E46 (1)

Weight, g/mol:

638.267525

ΔHf, kcal/mol:

-152.72

Dipole, Da:

6.18

IP(EA), eV:

 -8.96(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-[3-hydroxy-4-[methyl-(5-propan-2-ylpyridin-3-yl)amino]-1-phenylbutan-2-yl]-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-(1,3-oxazol-2-yl)benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CN(C)C(C)C3=CC=CC=C3)O)C(=O)NC(C)C4=CC=C(C=C4)C

DOS

IR

Vibrations